MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: S. Neov, E. Legrand, phys. stat. sol. (b) (1972) 49 589 - 596
DOI: 10.1002/pssb.2220490221
Atomic positions from: same reference

Parent space group (paramagnetic phase): Immm (#71)
Propagation vector: k1 (0, 0, 1)

Transition Temperature: 392 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
3.036 12.842 2.964 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_Innm (#58.404) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (8.2.25)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.50000	0.50000	0.00000	2	0,0,m_z	0.0	0.0	-2.92	2.92
Mn2	Mn	0.00000	0.184	0.00000	4	0,0,m_z	0.0	0.0	0.44	0.44

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mX2+	1	1	primary	2

Comments:

NPD
Cell parameters are probably from a room temperature measurement
According to the paper, at 392K only Mn1 moments becomes ordered, and it is below 226K that Mn2 also orders, with an intermediate incommensurate phase.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary

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